SCHEMBL4122589

SCHEMBL4122589

CCN(CC)CCC=Cc1cc2ncc(C#N)c(Nc3ccc(Sc4nccn4C)c(Cl)c3)c2cc1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 14/20 1.00
IGF1R P08069 8/20 0.72
EGFR P00533 2/20 0.64
ERBB2 P04626 1/20 0.64
MAPK3 P27361 1/20 0.62
MAPK1 P28482 1/20 0.62
MAP3K1 Q13233 1/20 0.62
IKBKB O14920 1/20 0.61
LYN P07948 1/20 0.61
SRC P12931 1/20 0.61
BRAF P15056 1/20 0.61
RPS6KB1 P23443 1/20 0.61
KDR P35968 1/20 0.61
PRKCQ Q04759 1/20 0.61
PDK1 Q15118 1/20 0.61

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4122584 1.00 MAP2K1 (1.00) MAP2K1IGF1REGFRERBB2MAPK3
SCHEMBL4123096 0.97 MAP2K1 (0.94) MAP2K1IGF1REGFRERBB2MAPK3
SCHEMBL4123103 0.97 MAP2K1 (0.94) MAP2K1IGF1REGFRERBB2MAPK3
SCHEMBL4127200 0.93 MAP2K1 (0.88) MAP2K1IGF1REGFRERBB2MAPK3
SCHEMBL4127203 0.93 MAP2K1 (0.88) MAP2K1IGF1REGFRERBB2MAPK3
SCHEMBL4101166 0.91 MAP2K1 (1.00) MAP2K1IGF1REGFRERBB2MAPK3
SCHEMBL4101167 0.91 MAP2K1 (1.00) MAP2K1IGF1REGFRERBB2MAPK3
SCHEMBL4122991 0.89 MAP2K1 (0.92) MAP2K1IGF1REGFRMAPK3MAPK1
SCHEMBL4123952 0.89 MAP2K1 (1.00) MAP2K1IGF1REGFRMAPK3MAPK1
SCHEMBL4122985 0.89 MAP2K1 (0.92) MAP2K1IGF1REGFRMAPK3MAPK1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090099356-A1 PREPARATION OF 7-ALKENYL-3 QUINOLINECARBONITRILES VIA A PALLADIUM MEDIATED COUPLING REACTION WYETH (US) 2009-04-16 US claimed
US-20090099356-A1 PREPARATION OF 7-ALKENYL-3 QUINOLINECARBONITRILES VIA A PALLADIUM MEDIATED COUPLING REACTION WYETH (US) 2009-04-16 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090099356-A1 PREPARATION OF 7-ALKENYL-3 QUINOLINECARBONITRILES VIA A PALLADIUM MEDIATED COUPLING REACTION PARK7, UQCRB, PRMT7 MAP2K1 2266/4885IGF1R 2125/4885EGFR 2351/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.